SCHEMBL208226

SCHEMBL208226

c1cncc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.75
KMT2A Q03164 13/20 0.75
MAPT P10636 7/20 0.75
SMN1; SMN2 Q16637 6/20 0.75
ALDH1A1 P00352 4/20 0.75
GAA P10253 3/20 0.75
LMNA P02545 2/20 0.75
RAB9A P51151 9/20 0.68
NPC1 O15118 9/20 0.68
TSHR P16473 1/20 0.68
HSD17B10 Q99714 1/20 0.68
ALOX5 P09917 1/20 0.67
PTGS2 P35354 1/20 0.66
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
MAPK1 P28482 2/20 0.64
PKM P14618 2/20 0.62
VCP P55072 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL207468 0.93 PTGS2 (0.77) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL29654152 0.88 PTGS2 (0.69) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL28701603 0.88 PTGS2 (0.69) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12297552 0.85 KMT2A (0.93) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12297528 0.84 SMN1; SMN2 (0.93) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7540052 0.81 MAPK1 (0.84) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12298248 0.81 SMN1; SMN2 (1.00) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12297517 0.81 SMN1; SMN2 (1.00) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12297527 0.81 RAB9A (0.86) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12297903 0.81 MEN1 (0.77) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885MAPT 2207/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.